1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone

C16H23NO2 — CID 117051814

IUPAC1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OC(C)C1CCCN(C)C1
InChIInChI=1S/C16H23NO2/c1-12(18)15-8-4-5-9-16(15)19-13(2)14-7-6-10-17(3)11-14/h4-5,8-9,13-14H,6-7,10-11H2,1-3H3
InChIKeyVAQBKCQCDAGPLK-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds4

About 1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone

1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone (PubChem CID 117051814) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone
PubChem CID117051814
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OC(C)C1CCCN(C)C1
InChIInChI=1S/C16H23NO2/c1-12(18)15-8-4-5-9-16(15)19-13(2)14-7-6-10-17(3)11-14/h4-5,8-9,13-14H,6-7,10-11H2,1-3H3
InChIKeyVAQBKCQCDAGPLK-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-methylpiperidin-3-yl)ethoxy]benzonitrile
CID 117052822
1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 62547332
methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate
CID 43308775
2-(2-acetylphenoxy)-N-cyclohexylpropanamide
CID 43083117
3-(2-acetylphenoxy)butan-2-one
CID 82312052
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
2-(2-acetylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 43083116
2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid
CID 117094856
[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 95352949
2-[4-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanamine
CID 117095330
tert-butyl (3S)-3-[1-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate
CID 166105200
2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
CID 61376709

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone (CID 117051814) is 1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OC(C)C1CCCN(C)C1.
What is the InChIKey of 1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone?
The InChIKey is VAQBKCQCDAGPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(18)15-8-4-5-9-16(15)19-13(2)14-7-6-10-17(3)11-14/h4-5,8-9,13-14H,6-7,10-11H2,1-3H3.
What are the key properties of 1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone?
1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 117051814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).